SCHEMBL8407635

SCHEMBL8407635

C=CCO[Zr](Cc1ccccc1)(OCC=C)OCC=C.c1ccc(CO[Zr](Cc2ccccc2)(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.38
BCHE P06276 3/20 0.36
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA7 P43166 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7595234 0.93 ALOX15 (0.38) ALOX15TSHRBCHESMN1; SMN2CYP3A4
SCHEMBL7592115 0.85 TSHR (0.50) ALOX15TSHRIDO1AGXTSMN1; SMN2
SCHEMBL8407902 0.83 ALOX15 (0.41) ALOX15TSHRBCHEIDO1AGXT
SCHEMBL7595240 0.80 ALOX15 (0.44) ALOX15TSHRBCHEIDO1AGXT
SCHEMBL7592973 0.80 ALOX15 (0.44) ALOX15TSHRBCHEIDO1AGXT
SCHEMBL7596681 0.78 ALOX15 (0.38) ALOX15TSHRBCHESMN1; SMN2CYP3A4
SCHEMBL7592967 0.78 ALOX15 (0.38) ALOX15TSHRBCHESMN1; SMN2CYP3A4
SCHEMBL149658 0.71 TSHR (0.61) ALOX15TSHRIDO1AGXTCYP3A4
SCHEMBL20953940 0.71 TSHR (0.61) ALOX15TSHRIDO1AGXTCYP3A4
Ammonia Solution, Strong SCHEMBL27983434 0.70 TSHR (0.58) ALOX15TSHRIDO1AGXTCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed